Abstract
The electronic structures of typical oxyanions are studied using the discrete variational (DV)— Xα cluster method. The level structures calculated for the clusters correspond very well with the valence-state levels found in experimental XPS spectra. Theoretical intensities of the XPS peaks are evaluated, using the orbital populations obtained with the DV— Xα method together with atomic subshell photoionization cross-sections obtained in previous work with the same electron model. The results are in good agreement with experiment.
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